3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N,N-dimethyl-benzenesulfonamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O4S/c1-22(2)29(27,28)19-9-7-8-18(16-19)21(26)24-14-10-17(11-15-24)20(25)23-12-5-3-4-6-13-23/h7-9,16-17H,3-6,10-15H2,1-2H3